期刊
CHEMICAL PHYSICS LETTERS
卷 480, 期 4-6, 页码 269-272出版社
ELSEVIER
DOI: 10.1016/j.cplett.2009.09.031
关键词
-
资金
- Army Research Laboratory [W911QX-07-C-0100, ORNL CNMS2009-031]
- NSF-CREST [HRD-0833178]
- Direct For Education and Human Resources
- Division Of Human Resource Development [833178] Funding Source: National Science Foundation
Theoretical investigations at the M05-2X DFT level employing the 6-31G(d), 6-31G(d,p), 6-31+G(d,p) and cc-pVDZ basis sets show that all nucleic acid bases (NABs), guanine, adenine, cytosine, thymine and uracil form stable stacking complexes with the zigzag (7,0) single-walled carbon nanotube (SWCNT). The values of the BSSE corrected interaction energy suggested that among the bases guanine forms the most stable complex. The other bases generate complexes of similar stability with the considered SWCNT that are less stable than the guanine-SWCNT dimer. (C) 2009 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据